CID 67058696

1269615-30-6

Structural Information

Molecular Formula
C4H9N5
SMILES
CNCC1=NN(N=N1)C
InChI
InChI=1S/C4H9N5/c1-5-3-4-6-8-9(2)7-4/h5H,3H2,1-2H3
InChIKey
YABHCUGEYSRJJE-UHFFFAOYSA-N
Compound name
N-methyl-1-(2-methyltetrazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

127.08579 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.093066 124.9
[M+Na]+ 150.075008 134.6
[M-H]- 126.078514 123.7
[M+NH4]+ 145.119613 143.4
[M+K]+ 166.048948 133.7
[M+H-H2O]+ 110.083050 116.5
[M+HCOO]- 172.083991 147.5
[M+CH3COO]- 186.099641 173.6
[M+Na-2H]- 148.060456 132.8
[M]+ 127.08524142 125.4
[M]- 127.08633858 125.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe